SCHEMBL6612924

SCHEMBL6612924

COc1ccc(-c2nnnn2C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
ACLY P53396 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
LRRK2 Q5S007 2/20 0.46
TACR1 P25103 1/20 0.43
TTK P33981 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8103794 0.84 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL15508028 0.81 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL30132245 0.81 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL5193649 0.81 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL5193554 0.78 TDP1 (0.65) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL6608811 0.77 SMN1; SMN2 (0.50) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL15507848 0.76 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL30132207 0.75 LRRK2 (0.53) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL15507926 0.75 LRRK2 (0.53) ALDH1A1CYP2C9CYP2C19KMT2AACLY
SCHEMBL12326161 0.74 PDGFRB (0.58) ALDH1A1MAPTKDM4EPDGFRBPDGFRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157740-A1 Heterocyclyl phenyl benzyl ethers used as fungicides BAYER CROPSCIENCE AG (DE) 2004-08-12 US disclosed
EP-1389191-A1 HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES Bayer CropScience AG (DE) 2004-02-18 EP disclosed
WO-2002092581-A1 HETEROCYCLYL PHENYL BENZYL ETHERS USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2002-11-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157740-A1 Heterocyclyl phenyl benzyl ethers used as fungicides DDT, CYP4X1, PAH ALDH1A1 2435/4885CYP2C9 47/4885CYP2C19 74/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.